Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKKICIAIDGPAAAGKSTVAKIVAKKLRFVYIDTGAMYRAVTYIALKNNIAYEDEKAIAALLQKTVIRFEPGEV-QQVFVGSENVTEVIRSIEVTNHVSIVAAHPSIREALQERQQVFA-TEGGIVMDGRDIGTAVLPNAELKIFLLASVEERAERRYKENMAKGFTGDLDQLKKEIEERDHLDYTRTHSPLKKADDAIEVDTTSMSIDQVANKILSLAELKINN
3R20 Chain:A ((9-225))
---SLVVAVDGPAGTGKSSVSRGLARALGARYLDTGAMYRIATLAVLRAGADLTDPAAIEKAAADAEIGVGSDPDVDAAFLAGEDVSSEIRGDAVTGAVSAVSAVPAVRTRLVDIQRKLATEGGRVVVEGRDIGTVVLPDADVKIFLTASAEERARRRNAQNVANGLPDDYATVLADVQRRDHLDSTRPVSPLRAADDALVVDTSDMDQAQVIAHLLDLV------
General information:
TITO was launched using:
RESULT:
Template:
3R20.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -134320 for 1741 contacts (-77.2/contact) +
2D Compatibility (PS) -23549 + (NN) -13044 + (LL) 712
1D Compatibility (HY) -12400 + (ID) 4550
Total energy: -187151.0 ( -107.50 by residue)
QMean score : 0.602
(partial model without unconserved sides chains):
PDB file :
Tito_3R20.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3R20-query.scw
PDB file :
Tito_Scwrl_3R20.pdb
: